N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide

C18H16N6OS — CID 46998758

IUPACN-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2nccs2)cn1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C18H16N6OS/c25-17(13-24-12-15(10-20-24)18-19-7-9-26-18)21-16-6-8-23(22-16)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,21,22,25)
InChIKeyKKRRKOGMMRGWLH-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.89
Rot. Bonds6

About N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide

N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide (PubChem CID 46998758) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide
PubChem CID46998758
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2nccs2)cn1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C18H16N6OS/c25-17(13-24-12-15(10-20-24)18-19-7-9-26-18)21-16-6-8-23(22-16)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,21,22,25)
InChIKeyKKRRKOGMMRGWLH-UHFFFAOYSA-N
XLogP2.89
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide
CID 46995755
N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide
CID 46994094
N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide
CID 46995316
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 47048680
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19285191
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide
CID 167749937
2-(1-benzylpyrazol-4-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 166259503
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638
N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19286317

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide (CID 46998758) is N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide is O=C(Cn1cc(-c2nccs2)cn1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide?
The InChIKey is KKRRKOGMMRGWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c25-17(13-24-12-15(10-20-24)18-19-7-9-26-18)21-16-6-8-23(22-16)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,21,22,25).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide?
N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46998758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).